6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide

C165H176O37 — CID 158205708

IUPAC6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide
SMILESCC(C)(C)c1cc(O)c2ccccc2c1.CC(C)(C)c1cc2ccccc2c(C(=O)O)c1O.CC(C)(C)c1ccc2c(C(=O)O)c(O)c(O)cc2c1.CC(C)(C)c1ccc2c(C(=O)O)c(O)ccc2c1.CC(C)(C)c1ccc2c(O)c(C(=O)O)c(O)cc2c1.CC(C)(C)c1ccc2c(O)c(C(=O)O)ccc2c1.CC(C)(C)c1ccc2cc(O)c(C(=O)O)c(O)c2c1.CC(C)(C)c1ccc2cc(O)c(C(=O)O)cc2c1.CC(C)(C)c1ccc2cc(O)c(O)c(C(=O)O)c2c1.CC(C)(C)c1ccc2ccc(C(=O)O)c(O)c2c1.CC(C)(C)c1ccc2ccc(O)c(C(=O)O)c2c1.O=C=O
InChIInChI=1S/4C15H16O4.6C15H16O3.C14H16O.CO2/c1-15(2,3)9-4-5-10-8(6-9)7-11(16)12(13(10)17)14(18)19;1-15(2,3)9-4-5-10-8(6-9)7-11(16)13(17)12(10)14(18)19;1-15(2,3)9-5-4-8-6-11(16)12(14(18)19)13(17)10(8)7-9;1-15(2,3)9-5-4-8-6-11(16)13(17)12(14(18)19)10(8)7-9;1-15(2,3)10-5-6-11-9(8-10)4-7-12(16)13(11)14(17)18;1-15(2,3)10-5-7-11-9(8-10)4-6-12(13(11)16)14(17)18;1-15(2,3)10-6-4-9-5-7-12(16)13(14(17)18)11(9)8-10;1-15(2,3)10-6-4-9-5-7-11(14(17)18)13(16)12(9)8-10;1-15(2,3)11-5-4-9-8-13(16)12(14(17)18)7-10(9)6-11;1-15(2,3)11-8-9-6-4-5-7-10(9)12(13(11)16)14(17)18;1-14(2,3)11-8-10-6-4-5-7-12(10)13(15)9-11;2-1-3/h4*4-7,16-17H,1-3H3,(H,18,19);6*4-8,16H,1-3H3,(H,17,18);4-9,15H,1-3H3;
InChIKeyGBLWLTXFOGBXEK-UHFFFAOYSA-N
MW2751.19 g/mol
LogP37.49
Rot. Bonds10

About 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide

6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide (PubChem CID 158205708) has the molecular formula C165H176O37 and a molecular weight of 2751.19 g/mol. Its IUPAC name is 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide.

Molecular Properties

Compound Name6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide
PubChem CID158205708
Molecular FormulaC165H176O37
Molecular Weight2751.19 g/mol
Exact Mass2749.19
IUPAC Name6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide
SMILESCC(C)(C)c1cc(O)c2ccccc2c1.CC(C)(C)c1cc2ccccc2c(C(=O)O)c1O.CC(C)(C)c1ccc2c(C(=O)O)c(O)c(O)cc2c1.CC(C)(C)c1ccc2c(C(=O)O)c(O)ccc2c1.CC(C)(C)c1ccc2c(O)c(C(=O)O)c(O)cc2c1.CC(C)(C)c1ccc2c(O)c(C(=O)O)ccc2c1.CC(C)(C)c1ccc2cc(O)c(C(=O)O)c(O)c2c1.CC(C)(C)c1ccc2cc(O)c(C(=O)O)cc2c1.CC(C)(C)c1ccc2cc(O)c(O)c(C(=O)O)c2c1.CC(C)(C)c1ccc2ccc(C(=O)O)c(O)c2c1.CC(C)(C)c1ccc2ccc(O)c(C(=O)O)c2c1.O=C=O
InChIInChI=1S/4C15H16O4.6C15H16O3.C14H16O.CO2/c1-15(2,3)9-4-5-10-8(6-9)7-11(16)12(13(10)17)14(18)19;1-15(2,3)9-4-5-10-8(6-9)7-11(16)13(17)12(10)14(18)19;1-15(2,3)9-5-4-8-6-11(16)12(14(18)19)13(17)10(8)7-9;1-15(2,3)9-5-4-8-6-11(16)13(17)12(14(18)19)10(8)7-9;1-15(2,3)10-5-6-11-9(8-10)4-7-12(16)13(11)14(17)18;1-15(2,3)10-5-7-11-9(8-10)4-6-12(13(11)16)14(17)18;1-15(2,3)10-6-4-9-5-7-12(16)13(14(17)18)11(9)8-10;1-15(2,3)10-6-4-9-5-7-11(14(17)18)13(16)12(9)8-10;1-15(2,3)11-5-4-9-8-13(16)12(14(17)18)7-10(9)6-11;1-15(2,3)11-8-9-6-4-5-7-10(9)12(13(11)16)14(17)18;1-14(2,3)11-8-10-6-4-5-7-12(10)13(15)9-11;2-1-3/h4*4-7,16-17H,1-3H3,(H,18,19);6*4-8,16H,1-3H3,(H,17,18);4-9,15H,1-3H3;
InChIKeyGBLWLTXFOGBXEK-UHFFFAOYSA-N
XLogP37.49
TPSA710.59 Ų
H-Bond Donors25
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002751.19
LogP ≤ 537.49
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide?
The IUPAC name of 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide (CID 158205708) is 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide.
What is the SMILES notation for 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide?
The canonical SMILES for 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide is CC(C)(C)c1cc(O)c2ccccc2c1.CC(C)(C)c1cc2ccccc2c(C(=O)O)c1O.CC(C)(C)c1ccc2c(C(=O)O)c(O)c(O)cc2c1.CC(C)(C)c1ccc2c(C(=O)O)c(O)ccc2c1.CC(C)(C)c1ccc2c(O)c(C(=O)O)c(O)cc2c1.CC(C)(C)c1ccc2c(O)c(C(=O)O)ccc2c1.CC(C)(C)c1ccc2cc(O)c(C(=O)O)c(O)c2c1.CC(C)(C)c1ccc2cc(O)c(C(=O)O)cc2c1.CC(C)(C)c1ccc2cc(O)c(O)c(C(=O)O)c2c1.CC(C)(C)c1ccc2ccc(C(=O)O)c(O)c2c1.CC(C)(C)c1ccc2ccc(O)c(C(=O)O)c2c1.O=C=O.
What is the InChIKey of 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide?
The InChIKey is GBLWLTXFOGBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H16O4.6C15H16O3.C14H16O.CO2/c1-15(2,3)9-4-5-10-8(6-9)7-11(16)12(13(10)17)14(18)19;1-15(2,3)9-4-5-10-8(6-9)7-11(16)13(17)12(10)14(18)19;1-15(2,3)9-5-4-8-6-11(16)12(14(18)19)13(17)10(8)7-9;1-15(2,3)9-5-4-8-6-11(16)13(17)12(14(18)19)10(8)7-9;1-15(2,3)10-5-6-11-9(8-10)4-7-12(16)13(11)14(17)18;1-15(2,3)10-5-7-11-9(8-10)4-6-12(13(11)16)14(17)18;1-15(2,3)10-6-4-9-5-7-12(16)13(14(17)18)11(9)8-10;1-15(2,3)10-6-4-9-5-7-11(14(17)18)13(16)12(9)8-10;1-15(2,3)11-5-4-9-8-13(16)12(14(17)18)7-10(9)6-11;1-15(2,3)11-8-9-6-4-5-7-10(9)12(13(11)16)14(17)18;1-14(2,3)11-8-10-6-4-5-7-12(10)13(15)9-11;2-1-3/h4*4-7,16-17H,1-3H3,(H,18,19);6*4-8,16H,1-3H3,(H,17,18);4-9,15H,1-3H3;.
What are the key properties of 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide?
6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide has a molecular weight of 2751.19 g/mol, XLogP of 37.49, 10 rotatable bonds, 25 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide is sourced from PubChem (CID 158205708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).